mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues Struct Reference

#include <action/LennardJones.hpp>

Public Attributes
real_t	ff1
	force factor 1
real_t	ff2
	force factor 2
real_t	ef1
	energy factor 1
real_t	ef2
	energy factor 2
real_t	rcSqr
real_t	cappingDistance
real_t	cappingDistanceSqr
real_t	cappingCoeff
real_t	shift
	shifting the potential at rc to zero
real_t	energyAtCappingPoint

Member Data Documentation

cappingCoeff

real_t mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues::cappingCoeff

cappingDistance

real_t mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues::cappingDistance

cappingDistanceSqr

real_t mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues::cappingDistanceSqr

ef1

real_t mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues::ef1

energy factor 1

ef2

real_t mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues::ef2

energy factor 2

energyAtCappingPoint

real_t mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues::energyAtCappingPoint

ff1

real_t mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues::ff1

force factor 1

ff2

real_t mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues::ff2

force factor 2

rcSqr

real_t mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues::rcSqr

shift

real_t mrmd::action::impl::CappedLennardJonesPotential::PrecomputedValues::shift

shifting the potential at rc to zero

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The documentation for this struct was generated from the following file:

• mrmd/action/LennardJones.hpp